Thanks! I'll try all pf this possibilities- especially I'm interesting in
Modeller because its 1) python-based and 2) produce suitable input for MD
(fixing side-chains or loops missed in the X-ray input data)
James
2013/11/11 Ron Jacak
> Hi James,
>
> SCWRL is a good suggestion. You may also
James,
What you want is something like SCWRL from the Dunbrack Lab. Minimization will
not get a sc out of an incorrect rotomer, and will not repack the protein in
the case of multiple mutations, SCWRL will. It can be downloaded for academic
use from here:
http://dunbrack.fccc.edu/SCWRL3.php/
